7-oxidanylidene-3-prop-2-ynylsulfanyl-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-prop-2-ynylsulfanyl-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-3-prop-2-ynylsulfanyl-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-3-(prop-2-ynylthio)-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-3-prop-2-ynylsulfanyl-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-(propargylthio)-6-(1-sulfoxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C12H13NO7S2 MolecularWeight: 347.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCC#C)OS(=O)(=O)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCC#C)OS(=O)(=O)O

InChI

InChI=1S/C12H13NO7S2/c1-3-4-21-8-5-7-9(6(2)20-22(17,18)19)11(14)13(7)10(8)12(15)16/h1,6-7,9H,4-5H2,2H3,(H,15,16)(H,17,18,19)